Prediction of Coupled Electronic and Phononic Ferroelectricity in Strained 2D h-NbN: First-Principles Theoretical Analysis.
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DOI: 10.1103/physrevlett.123.037601
Abstract: Using first-principles density functional theoretical analysis, we predict coexisting ferroelectric and semimetallic states in a two-dimensional monolayer of h-NbN subjected to an electric field and in-plane strain (ε). At strains close to ε=4.85%, where its… read more here.
Keywords: ferroelectricity; theoretical analysis; first principles; phononic ferroelectricity ... See more keywords